ethyl 4-[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido]benzoate
ethyl 4-[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | IB05-4181 |
| Compound Name: | ethyl 4-[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido]benzoate |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C25 H22 N2 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(CCCN1C(c2cccc3cccc(C1=O)c23)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.69 |
| logD: | 3.69 |
| logSw: | -4.72 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 124.25 |
| InChI Key: | VWLDFXNKKZBVCT-UHFFFAOYSA-N |